HRID171456

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID813

Potassium cation

K+

HCID19660

Carbonate

CO3-2

HCID30165

Iodide ion

I-

HCID104967

Cesium(1+)

Cs+

2 次

HCID23614500

4-(Bromomethyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole

C12H9BrF3NS

HCID69283069

tert-Butyl (6-hydroxy-1H-indol-1-yl)acetate

C14H17NO3

PRODUCTS

生成物

结构：Cc1sc(-c2ccc(C(F)(F)F)cc2)nc1COc1ccc2ccn(CC(=O)OC(C)(C)C)c2c1

HCID69279699

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-85c5541bc1074ebcadab08346b1781d9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[Br:19][CH2:20][c:21]1[n:22][c:23](-[c:27]2[cH:28][cH:29][c:30]([C:33]([F:34])([F:35])[F:36])[cH:31][cH:32]2)[s:24][c:25]1[CH3:26].[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([CH2:7][n:8]1[cH:9][cH:10][c:11]2[cH:12][cH:13][c:14]([OH:17])[cH:15][c:16]12)=[O:18].[C:37](=[O:38])([O-:39])[O-:40].[CH3:45][C:46](=[O:47])[CH3:48].[Cs+:41].[Cs+:42].[I-:44].[K+:43]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([CH2:7][n:8]1[cH:9][cH:10][c:11]2[cH:12][cH:13][c:14]([O:17][CH2:20][c:21]3[n:22][c:23](-[c:27]4[cH:28][cH:29][c:30]([C:33]([F:34])([F:35])[F:36])[cH:31][cH:32]4)[s:24][c:25]3[CH3:26])[cH:15][c:16]12)=[O:18]